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Behenic Acid Ethyl Ester (>90%)

CAT: 0572-TRC-B119585-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B119585-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5908-87-2
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC
Molecular Formula
C24 H48 O2
Molecular Weight
368.64
InChI
InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h3-23H2,1-2H3
Additionnal Information
IUPAC name: ethyl docosanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl behenate

Ethyl docosenyl is a fatty acid ester.

CAS Number5908-87-2
PubChem CID22199
IUPAC Nameethyl docosanoate
Molecular FormulaC24H48O2
Molecular Weight368.6
XLogP11.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Heavy Atom Count26
Formal Charge0
Complexity275
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h3-23H2,1-2H3
InChIKey
JIZCYLOUIAIZHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl behenate
CAS: 5908-87-2
CID: 22199
Formula: C24H48O2
MW: 368.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.6
XLogP311.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Exact Mass368.365430770
Monoisotopic Mass368.365430770
Topological Polar Surface Area26.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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